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

Systemtic Name: methyl 2-[2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-1-oxobutyl]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)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N3C(=CC(=NC3=O)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N3C(=CC(=NC3=O)C)C

InChI

InChI=1S/C20H25N3O4S/c1-5-14(23-12(3)10-11(2)21-20(23)26)17(24)22-18-16(19(25)27-4)13-8-6-7-9-15(13)28-18/h10,14H,5-9H2,1-4H3,(H,22,24)