[3-[[4-[5,5-dimethyl-4-(prop-2-enylcarbamoyl)-1,3-thiazolidin-3-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]-2-methyl-phenyl] ethanoate

Systemtic Name: [3-[[4-[5,5-dimethyl-4-(prop-2-enylcarbamoyl)-1,3-thiazolidin-3-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]-2-methyl-phenyl] ethanoate Openeye Name: [3-[[3-[4-(allylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-1-benzyl-2-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-phenyl] acetate CAS Name: acetic acid [3-[[[4-[5,5-dimethyl-4-[oxo-(prop-2-enylamino)methyl]-3-thiazolidinyl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-oxomethyl]-2-methylphenyl] ester IUPAC Name: [3-[[4-[5,5-dimethyl-4-(prop-2-enylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl]-2-methylphenyl] acetate Traditional Name: acetic acid [3-[[3-[4-(allylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-1-benzyl-2-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-phenyl] ester Formula: C29H35N3O6S MolecularWeight: 553.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NCC=C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1OC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NCC=C)(C)C)O

InChI

InChI=1S/C29H35N3O6S/c1-6-15-30-27(36)25-29(4,5)39-17-32(25)28(37)24(34)22(16-20-11-8-7-9-12-20)31-26(35)21-13-10-14-23(18(21)2)38-19(3)33/h6-14,22,24-25,34H,1,15-17H2,2-5H3,(H,30,36)(H,31,35)