2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC=C

InChI

InChI=1S/C23H20N4O5S2/c1-3-9-27-20(29)15-7-5-13(21(30)31)10-17(15)25-23(27)33-12-19(28)26-22-24-16-8-6-14(32-4-2)11-18(16)34-22/h3,5-8,10-11H,1,4,9,12H2,2H3,(H,30,31)(H,24,26,28)