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

Systemtic Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-chlorophenyl)-3-ethyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=S)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)CC(=O)O

Isomeric SMILES

CCC1C(=S)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl)CC(=O)O

InChI

InChI=1S/C19H17ClN2O2S/c1-2-15-19(25)22(11-17(23)24)16-10-6-4-8-13(16)18(21-15)12-7-3-5-9-14(12)20/h3-10,15H,2,11H2,1H3,(H,23,24)