ethyl 2-[(2-methyl-6-propan-2-yl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2-methyl-6-propan-2-yl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2-isopropyl-6-methyl-phenyl)carbamoylamino]propanoate CAS Name: 2-[[(2-methyl-6-propan-2-ylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-isopropyl-6-methyl-phenyl)carbamoylamino]propionic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-5-28-22(26)20(15-29-14-18-11-7-6-8-12-18)24-23(27)25-21-17(4)10-9-13-19(21)16(2)3/h6-13,16,20H,5,14-15H2,1-4H3,(H2,24,25,27)