methyl 3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[[4-(cyclohexen-1-yl)-N-(4-phenylthiazol-2-yl)anilino]methyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)-N-(4-phenyl-2-thiazolyl)anilino]methyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[[4-(cyclohexen-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)anilino]methyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)-N-(4-phenylthiazol-2-yl)anilino]methyl]benzoyl]amino]propionic acid methyl ester Formula: C33H33N3O3S MolecularWeight: 551.69842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3=CCCCC3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3=CCCCC3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C33H33N3O3S/c1-39-31(37)20-21-34-32(38)28-14-12-24(13-15-28)22-36(33-35-30(23-40-33)27-10-6-3-7-11-27)29-18-16-26(17-19-29)25-8-4-2-5-9-25/h3,6-8,10-19,23H,2,4-5,9,20-22H2,1H3,(H,34,38)