methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C28H25N3O3S2 MolecularWeight: 515.6464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H25N3O3S2/c1-33-23-12-11-16(13-17(23)15-35-28-31-21-9-5-6-10-24(21)36-28)25-26-19(14-22(30-25)27(32)34-2)18-7-3-4-8-20(18)29-26/h3-13,22,25,29-30H,14-15H2,1-2H3