[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C30H22N2O4S MolecularWeight: 506.57168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C30H22N2O4S/c1-18-10-15-23-26(16-18)37-29(32-23)19-11-13-20(14-12-19)31-27(33)17-35-30(34)28-21-6-2-4-8-24(21)36-25-9-5-3-7-22(25)28/h2-16,28H,17H2,1H3,(H,31,33)