(phenylmethyl) 7-chloranyl-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 7-chloranyl-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate Openeye Name: benzyl 7-chloro-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate CAS Name: 7-chloro-6-(hexylthio)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate Traditional Name: 7-chloro-6-(hexylthio)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid benzyl ester Formula: C26H30ClNO2S MolecularWeight: 456.0399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2)CCC(C3)C(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2)CCC(C3)C(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H30ClNO2S/c1-2-3-4-8-13-31-25-15-21-20-14-19(11-12-23(20)28-24(21)16-22(25)27)26(29)30-17-18-9-6-5-7-10-18/h5-7,9-10,15-16,19,28H,2-4,8,11-14,17H2,1H3