(phenylmethyl) N-[(4S)-1-[2-(4-methoxyphenyl)sulfanylethyl]-7-oxidanylidene-azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S)-1-[2-(4-methoxyphenyl)sulfanylethyl]-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[(4S)-1-[2-(4-methoxyphenyl)sulfanylethyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4S)-1-[2-[(4-methoxyphenyl)thio]ethyl]-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-1-[2-(4-methoxyphenyl)sulfanylethyl]-7-oxoazepan-4-yl]carbamate Traditional Name: N-[(4S)-7-keto-1-[2-[(4-methoxyphenyl)thio]ethyl]azepan-4-yl]carbamic acid benzyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCN2CCC(CCC2=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SCCN2CC[C@H](CCC2=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-28-20-8-10-21(11-9-20)30-16-15-25-14-13-19(7-12-22(25)26)24-23(27)29-17-18-5-3-2-4-6-18/h2-6,8-11,19H,7,12-17H2,1H3,(H,24,27)/t19-/m0/s1