N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyrrol-1-ylamino)-N-thiophen-2-ylcarbonyl-ethanamine oxide

Systemtic Name: N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyrrol-1-ylamino)-N-thiophen-2-ylcarbonyl-ethanamine oxide Openeye Name: N-tert-butoxycarbonyl-2-(pyrrol-1-ylamino)-N-(thiophene-2-carbonyl)ethanamine oxide CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-[oxo(thiophen-2-yl)methyl]-2-(1-pyrrolylamino)ethanamine oxide IUPAC Name: N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyrrol-1-ylamino)-N-(thiophene-2-carbonyl)ethanamine oxide Traditional Name: N-tert-butoxycarbonyl-2-(pyrrol-1-ylamino)-N-(2-thenoyl)ethanamine oxide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](CCNN1C=CC=C1)(C(=O)C2=CC=CS2)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+](CCNN1C=CC=C1)(C(=O)C2=CC=CS2)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-16(2,3)23-15(21)19(22,14(20)13-7-6-12-24-13)11-8-17-18-9-4-5-10-18/h4-7,9-10,12,17H,8,11H2,1-3H3