2-[5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-chlorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-chlorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)CC(=O)O

Isomeric SMILES

C1C(=S)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)CC(=O)O

InChI

InChI=1S/C17H13ClN2O2S/c18-13-7-3-1-5-11(13)17-12-6-2-4-8-14(12)20(10-16(21)22)15(23)9-19-17/h1-8H,9-10H2,(H,21,22)