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

Systemtic Name: propan-2-yl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-15(2)28-22(25)13-18(16-6-4-3-5-7-16)23-21(24)14-29-17-8-9-19-20(12-17)27-11-10-26-19/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,23,24)