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

Systemtic Name: methyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCSC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C19H23NO4S2/c1-12-13(2)26-18(17(12)19(22)24-4)20-16(21)6-5-11-25-15-9-7-14(23-3)8-10-15/h7-10H,5-6,11H2,1-4H3,(H,20,21)