ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-[(4-methoxyphenyl)thio]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25NO4S2/c1-5-25-20(23)18-13(2)14(3)27-19(18)21-17(22)7-6-12-26-16-10-8-15(24-4)9-11-16/h8-11H,5-7,12H2,1-4H3,(H,21,22)