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

Systemtic Name: methyl (2E)-2-(4-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-2-ylidene)ethanoate Openeye Name: methyl (2E)-2-(4-thioxo-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetate CAS Name: (2E)-2-(4-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(4-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-2-ylidene)acetate Traditional Name: (2E)-2-(4-thioxo-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=C1CC(=S)NC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)/C=C/1\CC(=S)NC2=CC=CC=C2N1

InChI

InChI=1S/C12H12N2O2S/c1-16-12(15)7-8-6-11(17)14-10-5-3-2-4-9(10)13-8/h2-5,7,13H,6H2,1H3,(H,14,17)/b8-7+