[4-[[2-(azetidin-1-yl)-6-sulfanylidene-cycloheptyl]-methyl-carbamoyl]phenyl] ethanoate

Systemtic Name: [4-[[2-(azetidin-1-yl)-6-sulfanylidene-cycloheptyl]-methyl-carbamoyl]phenyl] ethanoate Openeye Name: [4-[[2-(azetidin-1-yl)-6-thioxo-cycloheptyl]-methyl-carbamoyl]phenyl] acetate CAS Name: acetic acid [4-[[[2-(1-azetidinyl)-6-sulfanylidenecycloheptyl]-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(azetidin-1-yl)-6-sulfanylidenecycloheptyl]-methylcarbamoyl]phenyl] acetate Traditional Name: acetic acid [4-[[2-(azetidin-1-yl)-6-thioxo-cycloheptyl]-methyl-carbamoyl]phenyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)N(C)C2CC(=S)CCCC2N3CCC3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)N(C)C2CC(=S)CCCC2N3CCC3

InChI

InChI=1S/C20H26N2O3S/c1-14(23)25-16-9-7-15(8-10-16)20(24)21(2)19-13-17(26)5-3-6-18(19)22-11-4-12-22/h7-10,18-19H,3-6,11-13H2,1-2H3