ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C23H28N2O4S2/c1-4-18(30-16-10-8-9-15(13-16)24-14(3)26)21(27)25-22-20(23(28)29-5-2)17-11-6-7-12-19(17)31-22/h8-10,13,18H,4-7,11-12H2,1-3H3,(H,24,26)(H,25,27)