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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6-methyl-4-oxo-pyrido[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 (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-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-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-12-6-5-9-17-23-14(10-18(26)24(12)17)11-28-21(27)19-15-7-3-4-8-16(15)29-20(19)22-13(2)25/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,25)