methyl 2-[2-[(3-methoxyphenyl)methyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3-methoxyphenyl)methyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3-methoxyphenyl)methyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-methoxyphenyl)methyl-methylamino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[m-anisyl(methyl)amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN(C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN(C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-14-8-9-17-18(10-14)29-21(20(17)22(26)28-4)23-19(25)13-24(2)12-15-6-5-7-16(11-15)27-3/h5-7,11,14H,8-10,12-13H2,1-4H3,(H,23,25)