methyl (6R)-6-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate

Systemtic Name: methyl (6R)-6-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Openeye Name: methyl (6R)-6-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate CAS Name: (6R)-6-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Traditional Name: (6R)-6-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-5-keto-2-methyl-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(CS1)NC(=O)C(CC2=CC=CC=C2)SC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=O)[C@H](CS1)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-11-16(19(25)26-3)21-17(23)14(10-27-11)20-18(24)15(28-12(2)22)9-13-7-5-4-6-8-13/h4-8,14-15H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t14-,15-/m0/s1