[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H16N2O6S2/c1-9(14(20)18-15-11(13(17)19)7-8-25-15)24-16(21)10-5-3-4-6-12(10)26(2,22)23/h3-9H,1-2H3,(H2,17,19)(H,18,20)