S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] ethanethioate

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] ethanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-7-(3-quinolylamino)heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(3-quinolinylamino)heptyl] ester IUPAC Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(quinolin-3-ylamino)heptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-7-(3-quinolylamino)heptyl] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O4S/c1-16(27)31-13-9-5-6-12-20(26-22(29)30-23(2,3)4)21(28)25-18-14-17-10-7-8-11-19(17)24-15-18/h7-8,10-11,14-15,20H,5-6,9,12-13H2,1-4H3,(H,25,28)(H,26,29)/t20-/m0/s1