methyl 4,5-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3-besylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S2/c1-11-12(2)24-16(15(11)17(20)23-3)18-14(19)9-10-25(21,22)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,18,19)