[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C28H21N3O5S2 MolecularWeight: 543.61344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O5S2/c1-17-16-37-28(29-17)38-24-13-12-19(14-22(24)31(34)35)27(33)36-15-23(32)25-20-10-6-7-11-21(20)30(2)26(25)18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3