methyl 5-bromanyl-2-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-2-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H22BrN3O4S3 MolecularWeight: 652.60168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C

Isomeric SMILES

COC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3CC=C

InChI

InChI=1S/C29H22BrN3O4S3/c1-3-14-33-27(35)22-19(17-10-6-4-7-11-17)15-38-25(22)32-29(33)39-16-20(34)31-26-23(28(36)37-2)21(24(30)40-26)18-12-8-5-9-13-18/h3-13,15H,1,14,16H2,2H3,(H,31,34)