(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S2/c1-11-10-28-19(21-11)29-15-8-7-13(9-14(15)22(25)26)18(24)27-16(17(20)23)12-5-3-2-4-6-12/h2-10,16H,1H3,(H2,20,23)