2-(7-chloranyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(7-chloranyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)-2-methyl-propanoic acid Openeye Name: 2-(7-chloro-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-1-yl)-2-methyl-propanoic acid CAS Name: 2-(7-chloro-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)-2-methylpropanoic acid IUPAC Name: 2-(7-chloro-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl)-2-methylpropanoic acid Traditional Name: 2-(7-chloro-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-1-yl)-2-methyl-propionic acid Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)N1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

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