ethyl 2-[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22ClNO3S2 MolecularWeight: 423.97658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClNO3S2/c1-2-25-20(24)18-14-8-4-6-10-16(14)27-19(18)22-17(23)12-26-11-13-7-3-5-9-15(13)21/h3,5,7,9H,2,4,6,8,10-12H2,1H3,(H,22,23)