methyl 5-[[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]amino]-3-propoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]amino]-3-propoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[4-(azepan-1-yl)-4-oxo-butanoyl]amino]-3-propoxy-benzothiophene-2-carboxylate CAS Name: 5-[[4-(1-azepanyl)-1,4-dioxobutyl]amino]-3-propoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]-3-propoxy-1-benzothiophene-2-carboxylate Traditional Name: 5-[[4-(azepan-1-yl)-4-keto-butanoyl]amino]-3-propoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C23H30N2O5S/c1-3-14-30-21-17-15-16(8-9-18(17)31-22(21)23(28)29-2)24-19(26)10-11-20(27)25-12-6-4-5-7-13-25/h8-9,15H,3-7,10-14H2,1-2H3,(H,24,26)