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

Systemtic Name: propan-2-yl 3-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S2/c1-4-13-30-25(32)23-21(18-9-6-5-7-10-18)15-35-24(23)29-27(30)36-16-22(31)28-20-12-8-11-19(14-20)26(33)34-17(2)3/h4-12,14-15,17H,1,13,16H2,2-3H3,(H,28,31)