4-[ethoxycarbonyl-(phenylmethyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid

Systemtic Name: 4-[ethoxycarbonyl-(phenylmethyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Openeye Name: 4-[benzyl(ethoxycarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid CAS Name: 4-[ethoxycarbonyl-(phenylmethyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid IUPAC Name: 4-[benzyl(ethoxycarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Traditional Name: 4-[benzyl(carbethoxy)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC1=CC=CC=C1)C2CC(N(C3=CC(=C(C=C23)OC)OC)C(=O)S)C

Isomeric SMILES

CCOC(=O)N(CC1=CC=CC=C1)C2CC(N(C3=CC(=C(C=C23)OC)OC)C(=O)S)C

InChI

InChI=1S/C23H28N2O5S/c1-5-30-22(26)24(14-16-9-7-6-8-10-16)18-11-15(2)25(23(27)31)19-13-21(29-4)20(28-3)12-17(18)19/h6-10,12-13,15,18H,5,11,14H2,1-4H3,(H,27,31)