[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-[[4-(4-hexylphenyl)thiazol-2-yl]amino]-2-oxo-1-phenyl-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-[[4-(4-hexylphenyl)-2-thiazolyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-[[4-(4-hexylphenyl)thiazol-2-yl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)N

InChI

InChI=1S/C30H30ClN3O3S/c1-2-3-4-6-9-20-12-14-21(15-13-20)26-19-38-30(33-26)34-28(35)27(22-10-7-5-8-11-22)37-29(36)24-17-16-23(31)18-25(24)32/h5,7-8,10-19,27H,2-4,6,9,32H2,1H3,(H,33,34,35)