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

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-methoxy-5-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-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c1-11-3-4-14(24-2)13(7-11)21-15(22)8-25-16(23)9-27-18-12-5-6-26-17(12)19-10-20-18/h3-7,10H,8-9H2,1-2H3,(H,21,22)