S-[2-(3-aminocarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate

Systemtic Name: S-[2-(3-aminocarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate Openeye Name: S-[2-(tert-butoxycarbonylamino)-2-(3-carbamoylphenyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(3-carbamoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-(3-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(tert-butoxycarbonylamino)-2-(3-carbamoylphenyl)ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1=CC=CC(=C1)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(C1=CC=CC(=C1)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O4S/c1-10(19)23-9-13(18-15(21)22-16(2,3)4)11-6-5-7-12(8-11)14(17)20/h5-8,13H,9H2,1-4H3,(H2,17,20)(H,18,21)