ethyl 1-methyl-5-oxidanylidene-4-prop-2-enyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-2-carboxylate

Systemtic Name: ethyl 1-methyl-5-oxidanylidene-4-prop-2-enyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-2-carboxylate Openeye Name: ethyl 4-allyl-1-methyl-5-oxo-thiazolo[3,2-a]quinazolin-4-ium-2-carboxylate CAS Name: 1-methyl-5-oxo-4-prop-2-enyl-2-thiazolo[3,2-a]quinazolin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-oxo-4-prop-2-enyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-2-carboxylate Traditional Name: 4-allyl-5-keto-1-methyl-thiazolo[3,2-a]quinazolin-4-ium-2-carboxylic acid ethyl ester Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C3=CC=CC=C3C(=O)[N+](=C2S1)CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N2C3=CC=CC=C3C(=O)[N+](=C2S1)CC=C)C

InChI

InChI=1S/C17H17N2O3S/c1-4-10-18-15(20)12-8-6-7-9-13(12)19-11(3)14(23-17(18)19)16(21)22-5-2/h4,6-9H,1,5,10H2,2-3H3/q+1