(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O5S2/c1-12-5-7-20-14(9-12)19-13(10-15(20)21)11-25-16(22)4-6-18-27(23,24)17-3-2-8-26-17/h2-3,5,7-10,18H,4,6,11H2,1H3