methyl 4-[(4-butylphenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[(4-butylphenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(4-butylanilino)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(4-butylanilino)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butylanilino)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(4-butylanilino)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C17H21NO2S2 MolecularWeight: 335.48414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(SC(=C2)C(=O)OC)SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(SC(=C2)C(=O)OC)SC

InChI

InChI=1S/C17H21NO2S2/c1-4-5-6-12-7-9-13(10-8-12)18-14-11-15(16(19)20-2)22-17(14)21-3/h7-11,18H,4-6H2,1-3H3