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

Systemtic Name: methyl 2-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]thio]acetic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSCC(=O)OC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSCC(=O)OC

InChI

InChI=1S/C15H18N2O4S/c1-10-7-13(18)16-11-5-3-4-6-12(11)17(10)14(19)8-22-9-15(20)21-2/h3-6,10H,7-9H2,1-2H3,(H,16,18)