ethyl 2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-methoxy-4-(methylthio)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C20H23NO4S2/c1-4-25-20(23)17-14-7-5-6-8-16(14)27-19(17)21-18(22)13-10-9-12(26-3)11-15(13)24-2/h9-11H,4-8H2,1-3H3,(H,21,22)