ethyl 9-[4-(cyclohexylamino)-4-oxidanylidene-butyl]-1-methyl-benzo[e][1]benzothiole-2-carboxylate

Systemtic Name: ethyl 9-[4-(cyclohexylamino)-4-oxidanylidene-butyl]-1-methyl-benzo[e][1]benzothiole-2-carboxylate Openeye Name: ethyl 9-[4-(cyclohexylamino)-4-oxo-butyl]-1-methyl-benzo[e]benzothiophene-2-carboxylate CAS Name: 9-[4-(cyclohexylamino)-4-oxobutyl]-1-methyl-2-benzo[e][1]benzothiolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[4-(cyclohexylamino)-4-oxobutyl]-1-methylbenzo[e][1]benzothiole-2-carboxylate Traditional Name: 9-[4-(cyclohexylamino)-4-keto-butyl]-1-methyl-benzo[e]benzothiophene-2-carboxylic acid ethyl ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CC3=C2C(=CC=C3)CCCC(=O)NC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CC3=C2C(=CC=C3)CCCC(=O)NC4CCCCC4)C

InChI

InChI=1S/C26H31NO3S/c1-3-30-26(29)25-17(2)23-21(31-25)16-15-19-10-7-9-18(24(19)23)11-8-14-22(28)27-20-12-5-4-6-13-20/h7,9-10,15-16,20H,3-6,8,11-14H2,1-2H3,(H,27,28)