[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C

InChI

InChI=1S/C18H17N3O4S/c1-9-5-4-6-12(7-9)21-13(22)8-25-18(24)15-10(2)14-16(23)19-11(3)20-17(14)26-15/h4-7H,8H2,1-3H3,(H,21,22)(H,19,20,23)