ethyl (6S)-2-[2-(4-aminocarbonylphenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[2-(4-aminocarbonylphenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(4-carbamoylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)COC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H24N2O5S/c1-3-27-21(26)18-15-9-4-12(2)10-16(15)29-20(18)23-17(24)11-28-14-7-5-13(6-8-14)19(22)25/h5-8,12H,3-4,9-11H2,1-2H3,(H2,22,25)(H,23,24)/t12-/m0/s1