2-(8-carboxy-3-sulfanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: 2-(8-carboxy-3-sulfanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 2-(8-carboxy-3-thioxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(8-carboxy-3-sulfanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate IUPAC Name: 2-(8-carboxy-3-sulfanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(8-carboxy-3-thioxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Formula: C12H11N2O4S- MolecularWeight: 279.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=S)N1)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=S)N1)CC(=O)[O-]

InChI

InChI=1S/C12H12N2O4S/c15-10(16)4-9-11(19)13-5-7-2-1-6(12(17)18)3-8(7)14-9/h1-3,9,14H,4-5H2,(H,13,19)(H,15,16)(H,17,18)/p-1