methyl 4-methyl-3-[2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O4S/c1-13-4-7-18-22-16(9-20(26)24(18)10-13)11-29-12-19(25)23-17-8-15(21(27)28-3)6-5-14(17)2/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1