methyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=O)N1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C19H23N3O4S/c1-10-9-11(2)22(19(25)20-10)12(3)16(23)21-17-15(18(24)26-4)13-7-5-6-8-14(13)27-17/h9,12H,5-8H2,1-4H3,(H,21,23)