4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)-3-thenoic acid Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H15N3O6S/c1-11-15(20(26)27)19(22-17(24)12-6-5-9-14(10-12)23(28)29)30-16(11)18(25)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,21,25)(H,22,24)(H,26,27)