S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxidanylidene-3-[(7-oxidanylideneazepan-2-yl)amino]propyl] ethanethioate

Systemtic Name: S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxidanylidene-3-[(7-oxidanylideneazepan-2-yl)amino]propyl] ethanethioate Openeye Name: S-[(2S)-2-(o-tolylmethyl)-3-oxo-3-[(7-oxoazepan-2-yl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxo-3-[(7-oxo-2-azepanyl)amino]propyl] ester IUPAC Name: S-[(2S)-2-[(2-methylphenyl)methyl]-3-oxo-3-[(7-oxoazepan-2-yl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-keto-3-[(7-ketoazepan-2-yl)amino]-2-(2-methylbenzyl)propyl] ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)NC2CCCCC(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C[C@H](CSC(=O)C)C(=O)NC2CCCCC(=O)N2

InChI

InChI=1S/C19H26N2O3S/c1-13-7-3-4-8-15(13)11-16(12-25-14(2)22)19(24)21-17-9-5-6-10-18(23)20-17/h3-4,7-8,16-17H,5-6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t16-,17?/m1/s1