methyl (3S)-3-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl (3S)-3-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl (3S)-3-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: (3S)-3-[[oxo-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: (3S)-3-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H16N3O4S+ MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CS1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C17H15N3O4S/c1-24-15(21)9-12(13-5-4-8-25-13)19-16(22)11-10-18-14-6-2-3-7-20(14)17(11)23/h2-8,10,12H,9H2,1H3,(H,19,22)/p+1/t12-/m0/s1