ethyl 2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-ethoxy-4-keto-butyl)-tosyl-amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO6S2 MolecularWeight: 529.66814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCCN(C1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO6S2/c1-5-33-23(29)13-10-18-28(36(31,32)22-16-14-19(3)15-17-22)26-25(27(30)34-6-2)24(20(4)35-26)21-11-8-7-9-12-21/h7-9,11-12,14-17H,5-6,10,13,18H2,1-4H3