methyl 3-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-(cyclohexylamino)-2-oxo-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(cyclohexylamino)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-(cyclohexylamino)-2-keto-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4CCCCC4

InChI

InChI=1S/C22H22N2O4S/c1-28-22(27)20-18(15-10-5-6-12-17(15)29-20)24-13-7-11-16(24)19(25)21(26)23-14-8-3-2-4-9-14/h5-7,10-14H,2-4,8-9H2,1H3,(H,23,26)