ethyl 2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(6-azanyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-amino-4-oxo-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(6-amino-4-keto-4aH-quinazolin-3-ium-3-yl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15N4O3S+ MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)[N+]3=CN=C4C=CC(=CC4C3=O)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)[N+]3=CN=C4C=CC(=CC4C3=O)N

InChI

InChI=1S/C18H15N4O3S/c1-2-25-17(24)10-3-5-14-15(7-10)26-18(21-14)22-9-20-13-6-4-11(19)8-12(13)16(22)23/h3-9,12H,2,19H2,1H3/q+1