(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)NC(=O)C)C

InChI

InChI=1S/C18H16BrN3O4S/c1-9-10(2)27-17(20-11(3)23)16(9)18(25)26-8-13-6-15(24)22-7-12(19)4-5-14(22)21-13/h4-7H,8H2,1-3H3,(H,20,23)