prop-2-enyl N-[8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamate

Systemtic Name: prop-2-enyl N-[8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamate Openeye Name: allyl N-[7-hydroxy-8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamate CAS Name: N-[7-hydroxy-8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[7-hydroxy-8-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamate Traditional Name: N-[7-hydroxy-4-[2-keto-2-(p-anisylamino)ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamic acid allyl ester Formula: C28H37N3O6S MolecularWeight: 543.67488

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=C(C=C4)OC)N=C(S3)NC(=O)OCC=C)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=C(C=C4)OC)N=C(S3)NC(=O)OCC=C)(C)CO)O

InChI

InChI=1S/C28H37N3O6S/c1-5-12-37-26(35)31-25-30-24-19(13-23(34)29-15-17-6-8-18(36-4)9-7-17)27(2)11-10-22(33)28(3,16-32)21(27)14-20(24)38-25/h5-9,19,21-22,32-33H,1,10-16H2,2-4H3,(H,29,34)(H,30,31,35)