ethyl 3-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23N3O4S2 MolecularWeight: 505.60852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C26H23N3O4S2/c1-3-13-29-24(31)22-20(17-9-6-5-7-10-17)15-34-23(22)28-26(29)35-16-21(30)27-19-12-8-11-18(14-19)25(32)33-4-2/h3,5-12,14-15H,1,4,13,16H2,2H3,(H,27,30)