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

Systemtic Name: prop-2-enyl (Z)-4-oxidanylidene-4-piperazin-1-yl-3-(3-sulfanylpyrrolidin-1-yl)but-2-enoate Openeye Name: allyl (Z)-4-oxo-4-piperazin-1-yl-3-(3-sulfanylpyrrolidin-1-yl)but-2-enoate CAS Name: (Z)-3-(3-mercapto-1-pyrrolidinyl)-4-oxo-4-(1-piperazinyl)-2-butenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (Z)-4-oxo-4-piperazin-1-yl-3-(3-sulfanylpyrrolidin-1-yl)but-2-enoate Traditional Name: (Z)-4-keto-3-(3-mercaptopyrrolidino)-4-piperazino-but-2-enoic acid allyl ester Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C=C(C(=O)N1CCNCC1)N2CCC(C2)S

Isomeric SMILES

C=CCOC(=O)/C=C(/C(=O)N1CCNCC1)\N2CCC(C2)S

InChI

InChI=1S/C15H23N3O3S/c1-2-9-21-14(19)10-13(18-6-3-12(22)11-18)15(20)17-7-4-16-5-8-17/h2,10,12,16,22H,1,3-9,11H2/b13-10-