methyl 4-[[methyl-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[[methyl-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[[methyl(p-tolylsulfonyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[[[[methyl-(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[[methyl-(4-methylphenyl)sulfonylcarbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[[methyl(tosyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C16H19N3O6S2 MolecularWeight: 413.46856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)NC(=O)NC2=C(SCC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)NC(=O)NC2=C(SCC2)C(=O)OC

InChI

InChI=1S/C16H19N3O6S2/c1-10-4-6-11(7-5-10)27(23,24)19(2)16(22)18-15(21)17-12-8-9-26-13(12)14(20)25-3/h4-7H,8-9H2,1-3H3,(H2,17,18,21,22)