methyl 3-(3-chloranylpropylsulfanyl)-5-methoxy-1-methyl-indole-2-carboxylate

Systemtic Name: methyl 3-(3-chloranylpropylsulfanyl)-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: methyl 3-(3-chloropropylsulfanyl)-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-(3-chloropropylthio)-5-methoxy-1-methyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloropropylsulfanyl)-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 3-(3-chloropropylthio)-5-methoxy-1-methyl-indole-2-carboxylic acid methyl ester Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)OC)SCCCCl

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)OC)SCCCCl

InChI

InChI=1S/C15H18ClNO3S/c1-17-12-6-5-10(19-2)9-11(12)14(21-8-4-7-16)13(17)15(18)20-3/h5-6,9H,4,7-8H2,1-3H3