[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-12-4-3-5-15(8-12)23(13(2)25)20-22-14(11-30-20)10-29-19(26)17-9-16(24(27)28)6-7-18(17)21/h3-9,11H,10,21H2,1-2H3