3-[dimethylamino-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[dimethylamino-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[dimethylamino-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[dimethylamino-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[dimethylamino-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[dimethylamino-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)N(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)N(C)C

InChI

InChI=1S/C21H26N2O3S/c1-14-9-11-16(12-10-14)20(24)23(22(2)3)17-13-18(27-19(17)21(25)26)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,25,26)