methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C20H26N3O6S+ MolecularWeight: 436.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O6S/c1-3-29-17(24)13-30-20-21-16-12-14(19(26)27-2)4-5-15(16)18(25)23(20)7-6-22-8-10-28-11-9-22/h4-5,12H,3,6-11,13H2,1-2H3/p+1