2-(2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)ethanoic acid

Systemtic Name: 2-(2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)ethanoic acid Openeye Name: 2-(2-thioxo-3H-1,4-benzodiazepin-1-yl)acetic acid CAS Name: 2-(2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)acetic acid IUPAC Name: 2-(2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)acetic acid Traditional Name: 2-(2-thioxo-3H-1,4-benzodiazepin-1-yl)acetic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)N(C2=CC=CC=C2C=N1)CC(=O)O

Isomeric SMILES

C1C(=S)N(C2=CC=CC=C2C=N1)CC(=O)O

InChI

InChI=1S/C11H10N2O2S/c14-11(15)7-13-9-4-2-1-3-8(9)5-12-6-10(13)16/h1-5H,6-7H2,(H,14,15)