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

Systemtic Name: prop-2-enyl (E)-4-oxidanylidene-4-piperazin-1-yl-3-[3-(triphenylmethyl)sulfanylpyrrolidin-3-yl]but-2-enoate Openeye Name: allyl (E)-4-oxo-4-piperazin-1-yl-3-(3-tritylsulfanylpyrrolidin-3-yl)but-2-enoate CAS Name: (E)-4-oxo-4-(1-piperazinyl)-3-[3-[(triphenylmethyl)thio]-3-pyrrolidinyl]-2-butenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-4-oxo-4-piperazin-1-yl-3-(3-tritylsulfanylpyrrolidin-3-yl)but-2-enoate Traditional Name: (E)-4-keto-4-piperazino-3-[3-(tritylthio)pyrrolidin-3-yl]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)C2(CCNC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)/C=C(\C(=O)N1CCNCC1)/C2(CCNC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H37N3O3S/c1-2-24-40-31(38)25-30(32(39)37-22-20-35-21-23-37)33(18-19-36-26-33)41-34(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h2-17,25,35-36H,1,18-24,26H2/b30-25+