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

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-7-26-18(25)15-11(4)16(12(5)22)27-17(15)20-14(24)9-21(6)8-13(23)19-10(2)3/h10H,7-9H2,1-6H3,(H,19,23)(H,20,24)/p+1