[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N4O5S/c1-9-10(2)27-17(18-9)20-15(22)8-26-16(23)11-3-6-13(19-12-4-5-12)14(7-11)21(24)25/h3,6-7,12,19H,4-5,8H2,1-2H3,(H,18,20,22)