prop-2-enyl 5-[(4-ethanethioyloxy-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)carbonylamino]quinoline-4-carboxylate

Systemtic Name: prop-2-enyl 5-[(4-ethanethioyloxy-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl)carbonylamino]quinoline-4-carboxylate Openeye Name: allyl 5-[(1-allyloxycarbonyl-4-ethanethioyloxy-pyrrolidine-2-carbonyl)amino]quinoline-4-carboxylate CAS Name: 5-[[oxo-[1-[oxo(prop-2-enoxy)methyl]-4-(1-sulfanylideneethoxy)-2-pyrrolidinyl]methyl]amino]-4-quinolinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-[(4-ethanethioyloxy-1-prop-2-enoxycarbonylpyrrolidine-2-carbonyl)amino]quinoline-4-carboxylate Traditional Name: 5-[(1-allyloxycarbonyl-4-thioacetyloxy-prolyl)amino]cinchoninic acid allyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)OC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=CC=CC3=NC=CC(=C32)C(=O)OCC=C

Isomeric SMILES

CC(=S)OC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=CC=CC3=NC=CC(=C32)C(=O)OCC=C

InChI

InChI=1S/C24H25N3O6S/c1-4-11-31-23(29)17-9-10-25-18-7-6-8-19(21(17)18)26-22(28)20-13-16(33-15(3)34)14-27(20)24(30)32-12-5-2/h4-10,16,20H,1-2,11-14H2,3H3,(H,26,28)