methyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-26-16-9-7-15(8-10-16)17-14-28-20(19(17)21(25)27-2)22-18(24)13-23-11-5-3-4-6-12-23/h7-10,14H,3-6,11-13H2,1-2H3,(H,22,24)