[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C17H11ClN4O3S2 MolecularWeight: 418.87724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)C#N

InChI

InChI=1S/C17H11ClN4O3S2/c18-11-2-1-10(6-19)13(5-11)22-14(23)7-25-15(24)8-27-17-12-3-4-26-16(12)20-9-21-17/h1-5,9H,7-8H2,(H,22,23)