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

Systemtic Name: methyl N-[[2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]carbamate Openeye Name: methyl N-[2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate Traditional Name: N-[2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]carbamic acid methyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S2/c1-25-19(24)21-17(23)16-13-9-5-6-10-14(13)27-18(16)20-15(22)11-26-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,22)(H,21,23,24)