phenyl 2-ethynyl-6-methoxy-4-phenylsulfanyl-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 2-ethynyl-6-methoxy-4-phenylsulfanyl-2H-quinoline-1-carboxylate Openeye Name: phenyl 2-ethynyl-6-methoxy-4-phenylsulfanyl-2H-quinoline-1-carboxylate CAS Name: 2-ethynyl-6-methoxy-4-(phenylthio)-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-ethynyl-6-methoxy-4-phenylsulfanyl-2H-quinoline-1-carboxylate Traditional Name: 2-ethynyl-6-methoxy-4-(phenylthio)-2H-quinoline-1-carboxylic acid phenyl ester Formula: C25H19NO3S MolecularWeight: 413.48826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(C=C2SC3=CC=CC=C3)C#C)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(C=C2SC3=CC=CC=C3)C#C)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H19NO3S/c1-3-18-16-24(30-21-12-8-5-9-13-21)22-17-20(28-2)14-15-23(22)26(18)25(27)29-19-10-6-4-7-11-19/h1,4-18H,2H3