(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C20H19N3O4S/c1-12(24)21-19-18(14-6-2-3-7-15(14)28-19)20(26)27-11-13-10-17(25)23-9-5-4-8-16(23)22-13/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,24)