[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic 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] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C31H26N2O3S MolecularWeight: 506.61474

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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)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3S/c1-21-12-17-27-28(18-21)37-31(33-27)24-13-15-25(16-14-24)32-29(34)20-36-30(35)19-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-18,26H,19-20H2,1H3,(H,32,34)