ethyl 5-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(4-oxo-3-pyrido[1,2-a]pyrimidinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-ketopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN=C4C=CC=CN4C3=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN=C4C=CC=CN4C3=O

InChI

InChI=1S/C20H15N3O4S/c1-2-27-20(26)16-10-12-9-13(6-7-15(12)28-16)22-18(24)14-11-21-17-5-3-4-8-23(17)19(14)25/h3-11H,2H2,1H3,(H,22,24)