ethyl 2-[[2-methoxy-4-[4-(methylamino)butylsulfanyl]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-methoxy-4-[4-(methylamino)butylsulfanyl]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-methoxy-4-[4-(methylamino)butylsulfanyl]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-methoxy-4-[4-(methylamino)butylthio]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-methoxy-4-[4-(methylamino)butylsulfanyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-methoxy-4-[4-(methylamino)butylthio]benzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)SCCCCNC)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)SCCCCNC)OC

InChI

InChI=1S/C24H32N2O4S/c1-4-30-24(28)21(16-18-10-6-5-7-11-18)26-23(27)20-13-12-19(17-22(20)29-3)31-15-9-8-14-25-2/h5-7,10-13,17,21,25H,4,8-9,14-16H2,1-3H3,(H,26,27)