(2S)-N-ethyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-N-ethyl-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-ethyl-propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

InChI

InChI=1S/C21H23N3O2S2/c1-5-11-24-20(26)17-16(15-9-7-13(3)8-10-15)12-27-19(17)23-21(24)28-14(4)18(25)22-6-2/h5,7-10,12,14H,1,6,11H2,2-4H3,(H,22,25)/t14-/m0/s1