methyl 2-(4-sulfanyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ethanoate

Systemtic Name: methyl 2-(4-sulfanyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl 2-(4-sulfanyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetate CAS Name: 2-(4-mercapto-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl 2-(4-sulfanyl-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetate Traditional Name: 2-(4-mercapto-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C=C(NC2=CC=CC=C2N1)S

Isomeric SMILES

COC(=O)C=C1C=C(NC2=CC=CC=C2N1)S

InChI

InChI=1S/C12H12N2O2S/c1-16-12(15)7-8-6-11(17)14-10-5-3-2-4-9(10)13-8/h2-7,13-14,17H,1H3