methyl N-[4,5-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophen-3-yl]carbonylcarbamate

Systemtic Name: methyl N-[4,5-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophen-3-yl]carbonylcarbamate Openeye Name: methyl N-[2-(3-benzylsulfonylpropanoylamino)-4,5-dimethyl-thiophene-3-carbonyl]carbamate CAS Name: N-[[4,5-dimethyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-3-thiophenyl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(3-benzylsulfonylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]carbamate Traditional Name: N-[2-(3-benzylsulfonylpropanoylamino)-4,5-dimethyl-thiophene-3-carbonyl]carbamic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H22N2O6S2/c1-12-13(2)28-18(16(12)17(23)21-19(24)27-3)20-15(22)9-10-29(25,26)11-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,20,22)(H,21,23,24)