ethyl 2-[[(3S)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(3S)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]acetate CAS Name: 2-[[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]acetate Traditional Name: 2-[[(3S)-2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]thio]acetic acid ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CS[C@H]1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-2-24-16(22)12-25-18-17(13-8-4-3-5-9-13)20-14-10-6-7-11-15(14)21-19(18)23/h3-11,18H,2,12H2,1H3,(H,21,23)/t18-/m0/s1