prop-2-enyl (Z)-4-oxidanylidene-4-piperazin-1-yl-3-[3-(triphenylmethyl)sulfanylpyrrolidin-1-yl]but-2-enoate

Systemtic Name: prop-2-enyl (Z)-4-oxidanylidene-4-piperazin-1-yl-3-[3-(triphenylmethyl)sulfanylpyrrolidin-1-yl]but-2-enoate Openeye Name: allyl (Z)-4-oxo-4-piperazin-1-yl-3-(3-tritylsulfanylpyrrolidin-1-yl)but-2-enoate CAS Name: (Z)-4-oxo-4-(1-piperazinyl)-3-[3-[(triphenylmethyl)thio]-1-pyrrolidinyl]-2-butenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (Z)-4-oxo-4-piperazin-1-yl-3-(3-tritylsulfanylpyrrolidin-1-yl)but-2-enoate Traditional Name: (Z)-4-keto-4-piperazino-3-[3-(tritylthio)pyrrolidino]but-2-enoic acid allyl ester Formula: C34H37N3O3S MolecularWeight: 567.74088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C=C(C(=O)N1CCNCC1)N2CCC(C2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)/C=C(/C(=O)N1CCNCC1)\N2CCC(C2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H37N3O3S/c1-2-24-40-32(38)25-31(33(39)36-22-19-35-20-23-36)37-21-18-30(26-37)41-34(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,25,30,35H,1,18-24,26H2/b31-25-