methyl N-[[2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate

Systemtic Name: methyl N-[[2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: methyl N-[2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-3-(phenylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-[3-(phenylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-26-20(25)22-18(24)17-14-9-5-6-10-15(14)28-19(17)21-16(23)11-12-27-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,23)(H,22,24,25)