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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (4-keto-7-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=CN2C(=NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3)C=C1

InChI

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