ethyl 2-[[4-oxidanylidene-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-oxidanylidene-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-4-keto-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-2-28-19(26)14-29-22-24-20-17(12-16-10-6-7-11-18(16)23-20)21(27)25(22)13-15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3