2-[(Z)-2-(3-bromophenyl)-1-methylsulfanyl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(Z)-2-(3-bromophenyl)-1-methylsulfanyl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(Z)-2-(3-bromophenyl)-1-methylsulfanyl-vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(Z)-2-(3-bromophenyl)-1-(methylthio)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(Z)-2-(3-bromophenyl)-1-methylsulfanylethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(Z)-2-(3-bromophenyl)-1-(methylthio)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H13BrN2O3S2 MolecularWeight: 437.33072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CC=C3)Br)SC)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC(=CC=C3)Br)/SC)C(=O)O

InChI

InChI=1S/C17H13BrN2O3S2/c1-8-12-15(21)19-14(20-16(12)25-13(8)17(22)23)11(24-2)7-9-4-3-5-10(18)6-9/h3-7H,1-2H3,(H,22,23)(H,19,20,21)/b11-7-