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

Systemtic Name: ethyl 2-[(4-methyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-methyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-keto-4-methyl-1,3-dihydro-1,5-benzodiazepin-3-yl)thio]acetic acid ethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-3-19-12(17)8-20-13-9(2)15-10-6-4-5-7-11(10)16-14(13)18/h4-7,13H,3,8H2,1-2H3,(H,16,18)