ethyl 3-[4-(cyclopentylmethoxy)-3-[4-(methylaminosulfanylcarbonylamino)phenyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-(cyclopentylmethoxy)-3-[4-(methylaminosulfanylcarbonylamino)phenyl]phenyl]propanoate Openeye Name: ethyl 3-[4-(cyclopentylmethoxy)-3-[4-(methylaminosulfanylcarbonylamino)phenyl]phenyl]propanoate CAS Name: 3-[4-(cyclopentylmethoxy)-3-[4-[[(methylaminothio)-oxomethyl]amino]phenyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(cyclopentylmethoxy)-3-[4-(methylaminosulfanylcarbonylamino)phenyl]phenyl]propanoate Traditional Name: 3-[4-(cyclopentylmethoxy)-3-[4-[(methylaminothio)carbonylamino]phenyl]phenyl]propionic acid ethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC=C(C=C3)NC(=O)SNC

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC=C(C=C3)NC(=O)SNC

InChI

InChI=1S/C25H32N2O4S/c1-3-30-24(28)15-9-18-8-14-23(31-17-19-6-4-5-7-19)22(16-18)20-10-12-21(13-11-20)27-25(29)32-26-2/h8,10-14,16,19,26H,3-7,9,15,17H2,1-2H3,(H,27,29)