methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC4=C(C=C3)OCCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=CC4=C(C=C3)OCCO4)C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-13-15-5-3-4-6-16(15)22-17(20(13)21(23)24-2)12-27-14-7-8-18-19(11-14)26-10-9-25-18/h3-8,11H,9-10,12H2,1-2H3