(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-12-11-29-20(21-12)30-17-9-8-14(10-16(17)23(26)27)19(25)28-13(2)18(24)22-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,22,24)