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

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H14ClN3O3S2/c1-10-6-11(18)2-3-13(10)21-14(22)7-24-15(23)8-26-17-12-4-5-25-16(12)19-9-20-17/h2-6,9H,7-8H2,1H3,(H,21,22)