methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO5S/c1-24-20(23)12-16(14-5-3-2-4-6-14)21-19(22)13-27-15-7-8-17-18(11-15)26-10-9-25-17/h2-8,11,16H,9-10,12-13H2,1H3,(H,21,22)