7-[(S)-[(3-ethoxycarbonylphenyl)amino]-thiophen-2-yl-methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-[(3-ethoxycarbonylphenyl)amino]-thiophen-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-(3-ethoxycarbonylanilino)-(2-thienyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-(3-ethoxycarbonylanilino)-thiophen-2-ylmethyl]-8-quinolinolate IUPAC Name: 7-[(S)-(3-ethoxycarbonylanilino)-thiophen-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-(3-carbethoxyanilino)-(2-thienyl)methyl]quinolin-8-olate Formula: C23H19N2O3S- MolecularWeight: 403.47356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CS4

InChI

InChI=1S/C23H20N2O3S/c1-2-28-23(27)16-6-3-8-17(14-16)25-21(19-9-5-13-29-19)18-11-10-15-7-4-12-24-20(15)22(18)26/h3-14,21,25-26H,2H2,1H3/p-1/t21-/m0/s1