methyl (6S)-2-[2-(5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[2-(5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[2-(5-formyl-2-methoxy-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(5-formyl-2-methoxyphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(5-formyl-2-methoxy-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3)C=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3)C=O)OC

InChI

InChI=1S/C21H23NO6S/c1-12-4-6-14-17(8-12)29-20(19(14)21(25)27-3)22-18(24)11-28-16-9-13(10-23)5-7-15(16)26-2/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,22,24)/t12-/m0/s1