[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-13(2)14-4-6-15(7-5-14)20-23-17(12-29-20)11-28-21(25)16-8-9-18(22-3)19(10-16)24(26)27/h4-10,12-13,22H,11H2,1-3H3