phenyl 2-ethynyl-6-methoxy-4-(phenylsulfinyl)-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 2-ethynyl-6-methoxy-4-(phenylsulfinyl)-2H-quinoline-1-carboxylate Openeye Name: phenyl 4-(benzenesulfinyl)-2-ethynyl-6-methoxy-2H-quinoline-1-carboxylate CAS Name: 4-(benzenesulfinyl)-2-ethynyl-6-methoxy-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfinyl)-2-ethynyl-6-methoxy-2H-quinoline-1-carboxylate Traditional Name: 4-(benzenesulfinyl)-2-ethynyl-6-methoxy-2H-quinoline-1-carboxylic acid phenyl ester Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(C=C2S(=O)C3=CC=CC=C3)C#C)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(C=C2S(=O)C3=CC=CC=C3)C#C)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H19NO4S/c1-3-18-16-24(31(28)21-12-8-5-9-13-21)22-17-20(29-2)14-15-23(22)26(18)25(27)30-19-10-6-4-7-11-19/h1,4-18H,2H3