ethyl 5-[2-[2-(4-methoxyphenyl)azepan-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[2-(4-methoxyphenyl)azepan-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[2-(4-methoxyphenyl)-1-azepanyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCCCCC2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCCCCC2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H30N2O4S/c1-4-29-23(27)22-16(2)14-21(30-22)24-20(26)15-25-13-7-5-6-8-19(25)17-9-11-18(28-3)12-10-17/h9-12,14,19H,4-8,13,15H2,1-3H3,(H,24,26)