methyl 5-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 5-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 5-[3-[(3,4-dimethylphenyl)thio]propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(S2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(S2)C(=O)OC)C

InChI

InChI=1S/C17H19NO3S2/c1-11-4-5-13(10-12(11)2)22-9-8-15(19)18-16-7-6-14(23-16)17(20)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,19)