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

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]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-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C18H17N3O4S/c1-12-3-6-21-15(8-12)20-14(9-16(21)22)10-25-17(23)2-5-19-18(24)13-4-7-26-11-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,19,24)