[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC(=O)NC(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC(=O)NC(C)C)C(=O)NC)N

InChI

InChI=1S/C16H26N4O4S/c1-6-24-16(23)12-10(13(15(22)18-4)25-14(12)17)7-20(5)8-11(21)19-9(2)3/h9H,6-8,17H2,1-5H3,(H,18,22)(H,19,21)/p+1