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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-11-5-12(2)7-13(6-11)21-15(22)8-24-16(23)9-26-18-14-3-4-25-17(14)19-10-20-18/h3-7,10H,8-9H2,1-2H3,(H,21,22)