ethyl 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]propanoate CAS Name: 2-[[(2-tert-butyl-6-methylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-tert-butyl-6-methylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]propionic acid ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=C(C=CC=C2C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=C(C=CC=C2C(C)(C)C)C

InChI

InChI=1S/C24H32N2O3S/c1-6-29-22(27)20(16-30-15-18-12-8-7-9-13-18)25-23(28)26-21-17(2)11-10-14-19(21)24(3,4)5/h7-14,20H,6,15-16H2,1-5H3,(H2,25,26,28)