ethyl 3-[[(2,2-dimethyl-1,3-dihydroinden-5-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[(2,2-dimethyl-1,3-dihydroinden-5-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: ethyl 3-[[(2,2-dimethylindan-5-yl)oxycarbonyl-methyl-amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-1,3-dihydroinden-5-yl)oxy-oxomethyl]-methylamino]thio]-propan-2-ylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2,2-dimethyl-1,3-dihydroinden-5-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[(2,2-dimethylindan-5-yl)oxycarbonyl-methyl-amino]thio]-isopropyl-amino]propionic acid ethyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC2=C(CC(C2)(C)C)C=C1

Isomeric SMILES

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC2=C(CC(C2)(C)C)C=C1

InChI

InChI=1S/C21H32N2O4S/c1-7-26-19(24)10-11-23(15(2)3)28-22(6)20(25)27-18-9-8-16-13-21(4,5)14-17(16)12-18/h8-9,12,15H,7,10-11,13-14H2,1-6H3