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

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C22H26N2O4S2/c1-4-28-22(27)20-17-9-8-13(2)10-18(17)30-21(20)24-19(26)12-29-16-7-5-6-15(11-16)23-14(3)25/h5-7,11,13H,4,8-10,12H2,1-3H3,(H,23,25)(H,24,26)