ethyl N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,2-bis(oxidanylidene)-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c][1,2]thiazol-6-yl]carbamate

Systemtic Name: ethyl N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,2-bis(oxidanylidene)-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c][1,2]thiazol-6-yl]carbamate Openeye Name: ethyl N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2,2-dioxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]isothiazol-6-yl]carbamate CAS Name: N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2,2-dioxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]isothiazol-6-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,2-dioxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c][1,2]thiazol-6-yl]carbamate Traditional Name: N-[(3aS,4aR,6R,8aR,9S,9aR)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-2,2-diketo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphth[2,3-c]isothiazol-6-yl]carbamic acid ethyl ester Formula: C27H32FN3O4S MolecularWeight: 513.624083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCC2C(C1)CC3CS(=O)(=O)NC3C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3CS(=O)(=O)N[C@@H]3[C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H32FN3O4S/c1-2-35-27(32)30-23-9-10-24-19(14-23)12-20-16-36(33,34)31-26(20)25(24)11-8-22-7-6-18(15-29-22)17-4-3-5-21(28)13-17/h3-8,11,13,15,19-20,23-26,31H,2,9-10,12,14,16H2,1H3,(H,30,32)/b11-8+/t19-,20-,23-,24-,25+,26+/m1/s1