methyl 3-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(5,6-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC(CC(=O)OC)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NC(CC(=O)OC)C3=CC=CS3)C

InChI

InChI=1S/C20H21NO4S/c1-12-7-15-14(11-25-17(15)8-13(12)2)9-19(22)21-16(10-20(23)24-3)18-5-4-6-26-18/h4-8,11,16H,9-10H2,1-3H3,(H,21,22)