3-butyl-4-oxidanylidene-2-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-2-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-butyl-4-oxo-2-[(E)-2-(2-thienyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-butyl-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-butyl-4-oxo-2-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-[(E)-2-(2-thienyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC=CS3

Isomeric SMILES

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H18N2O3S/c1-2-3-6-15-16(9-8-14-5-4-11-25-14)20-17-10-7-13(19(23)24)12-21(17)18(15)22/h4-5,7-12H,2-3,6H2,1H3,(H,23,24)/b9-8+