ethyl (E)-2-[(Z)-1,2-dicyano-2-[(E)-1-ethoxy-1-oxidanylidene-3-(propan-2-ylamino)but-2-en-2-yl]sulfanyl-ethenyl]sulfanyl-3-(propan-2-ylamino)but-2-enoate

Systemtic Name: ethyl (E)-2-[(Z)-1,2-dicyano-2-[(E)-1-ethoxy-1-oxidanylidene-3-(propan-2-ylamino)but-2-en-2-yl]sulfanyl-ethenyl]sulfanyl-3-(propan-2-ylamino)but-2-enoate Openeye Name: ethyl (E)-2-[(Z)-1,2-dicyano-2-[(E)-1-ethoxycarbonyl-2-(isopropylamino)prop-1-enyl]sulfanyl-vinyl]sulfanyl-3-(isopropylamino)but-2-enoate CAS Name: (E)-2-[[(Z)-1,2-dicyano-2-[[(E)-1-ethoxy-1-oxo-3-(propan-2-ylamino)but-2-en-2-yl]thio]ethenyl]thio]-3-(propan-2-ylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(Z)-1,2-dicyano-2-[(E)-1-ethoxy-1-oxo-3-(propan-2-ylamino)but-2-en-2-yl]sulfanylethenyl]sulfanyl-3-(propan-2-ylamino)but-2-enoate Traditional Name: (E)-2-[[(Z)-2-[[(E)-1-carbethoxy-2-(isopropylamino)prop-1-enyl]thio]-1,2-dicyano-vinyl]thio]-3-(isopropylamino)but-2-enoic acid ethyl ester Formula: C22H32N4O4S2 MolecularWeight: 480.64388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC(C)C)SC(=C(C#N)SC(=C(C)NC(C)C)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC(C)C)/C)/S/C(=C(\S/C(=C(/NC(C)C)\C)/C(=O)OCC)/C#N)/C#N

InChI

InChI=1S/C22H32N4O4S2/c1-9-29-21(27)19(15(7)25-13(3)4)31-17(11-23)18(12-24)32-20(22(28)30-10-2)16(8)26-14(5)6/h13-14,25-26H,9-10H2,1-8H3/b18-17-,19-15+,20-16+