methyl 3-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2CC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2CC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H23NO5S/c1-25-16-9-8-13(10-17(16)26-2)15(12-20(23)27-3)22-21(24)19-11-14-6-4-5-7-18(14)28-19/h4-10,15,19H,11-12H2,1-3H3,(H,22,24)