ethyl 4-(4-fluorophenyl)-2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H24FN3O4S3 MolecularWeight: 605.722663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3CC=C

InChI

InChI=1S/C30H24FN3O4S3/c1-3-14-34-28(36)21-15-23(19-8-6-5-7-9-19)41-26(21)33-30(34)40-17-24(35)32-27-25(29(37)38-4-2)22(16-39-27)18-10-12-20(31)13-11-18/h3,5-13,15-16H,1,4,14,17H2,2H3,(H,32,35)