methyl N-[2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophen-3-yl]carbonylcarbamate

Systemtic Name: methyl N-[2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophen-3-yl]carbonylcarbamate Openeye Name: methyl N-[2-(4-benzylsulfonylbutanoylamino)thiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-3-thiophenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-benzylsulfonylbutanoylamino)thiophene-3-carbonyl]carbamate Traditional Name: N-[2-(4-benzylsulfonylbutanoylamino)thiophene-3-carbonyl]carbamic acid methyl ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S2/c1-26-18(23)20-16(22)14-9-10-27-17(14)19-15(21)8-5-11-28(24,25)12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,19,21)(H,20,22,23)