methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoate CAS Name: 4-[2-[2-(4-methylphenyl)-4-thiazolyl]ethylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitrobenzoate Traditional Name: 3-nitro-4-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-13-3-5-14(6-4-13)19-22-16(12-28-19)9-10-21-17-8-7-15(20(24)27-2)11-18(17)23(25)26/h3-8,11-12,21H,9-10H2,1-2H3