(2S)-N-(4-ethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-pyrido[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-pyrido[2,3-d]pyrimidin-2-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CC=N3)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(C=CC=N3)C(=O)N2CC=C

InChI

InChI=1S/C21H22N4O2S/c1-4-13-25-20(27)17-7-6-12-22-18(17)24-21(25)28-14(3)19(26)23-16-10-8-15(5-2)9-11-16/h4,6-12,14H,1,5,13H2,2-3H3,(H,23,26)/t14-/m0/s1