methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3,4-bis(oxidanylidene)-2-quinoxalin-2-yl-butanoate

Systemtic Name: methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3,4-bis(oxidanylidene)-2-quinoxalin-2-yl-butanoate Openeye Name: methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3,4-dioxo-2-quinoxalin-2-yl-butanoate CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3,4-dioxo-2-(2-quinoxalinyl)butanoic acid methyl ester IUPAC Name: methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3,4-dioxo-2-quinoxalin-2-ylbutanoate Traditional Name: 3,4-diketo-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-quinoxalin-2-yl-butyric acid methyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)C(=O)OC

InChI

InChI=1S/C21H16N4O5S/c1-29-11-7-8-14-16(9-11)31-21(24-14)25-19(27)18(26)17(20(28)30-2)15-10-22-12-5-3-4-6-13(12)23-15/h3-10,17H,1-2H3,(H,24,25,27)