methyl (2S)-3-methylidene-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-2H-quinoline-6-carboxylate

Systemtic Name: methyl (2S)-3-methylidene-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxidanylidene-2H-quinoline-6-carboxylate Openeye Name: methyl (2S)-2-[3-(tert-butoxycarbonylamino)propyl]-3-methylene-4-oxo-1-(p-tolylsulfonyl)-2H-quinoline-6-carboxylate CAS Name: (2S)-3-methylene-1-(4-methylphenyl)sulfonyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-4-oxo-2H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl (2S)-3-methylidene-1-(4-methylphenyl)sulfonyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxo-2H-quinoline-6-carboxylate Traditional Name: (2S)-2-[3-(tert-butoxycarbonylamino)propyl]-4-keto-3-methylene-1-tosyl-2H-quinoline-6-carboxylic acid methyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C)C(=O)C3=C2C=CC(=C3)C(=O)OC)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C(=C)C(=O)C3=C2C=CC(=C3)C(=O)OC)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O7S/c1-17-9-12-20(13-10-17)37(33,34)29-22(8-7-15-28-26(32)36-27(3,4)5)18(2)24(30)21-16-19(25(31)35-6)11-14-23(21)29/h9-14,16,22H,2,7-8,15H2,1,3-6H3,(H,28,32)/t22-/m0/s1