[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H12N2O5S2/c1-24(20,21)12-4-2-10(3-5-12)15(19)22-9-13(18)17-14-11(8-16)6-7-23-14/h2-7H,9H2,1H3,(H,17,18)