[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

InChI

InChI=1S/C18H16ClN3O4S/c1-9-6-10(2)21-18(20-9)22-14(23)8-26-17(24)16-15(19)12-5-4-11(25-3)7-13(12)27-16/h4-7H,8H2,1-3H3,(H,20,21,22,23)