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

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C24H30N2O4S2/c1-5-19(31-17-9-7-8-16(13-17)25-15(4)27)22(28)26-23-21(24(29)30-6-2)18-11-10-14(3)12-20(18)32-23/h7-9,13-14,19H,5-6,10-12H2,1-4H3,(H,25,27)(H,26,28)