methyl 2-[[(Z)-2-methyl-3-phenylsulfanyl-prop-1-enyl]-(3-oxidanylidenebutanoyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[(Z)-2-methyl-3-phenylsulfanyl-prop-1-enyl]-(3-oxidanylidenebutanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[(Z)-2-methyl-3-phenylsulfanyl-prop-1-enyl]-(3-oxobutanoyl)amino]-3-phenyl-propanoate CAS Name: 2-[1,3-dioxobutyl-[(Z)-2-methyl-3-(phenylthio)prop-1-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-methyl-3-phenylsulfanylprop-1-enyl]-(3-oxobutanoyl)amino]-3-phenylpropanoate Traditional Name: 2-[acetoacetyl-[(Z)-2-methyl-3-(phenylthio)prop-1-enyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N(C=C(C)CSC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)N(/C=C(/C)\CSC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H27NO4S/c1-18(17-30-21-12-8-5-9-13-21)16-25(23(27)14-19(2)26)22(24(28)29-3)15-20-10-6-4-7-11-20/h4-13,16,22H,14-15,17H2,1-3H3/b18-16-