[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: [2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]-isobutyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH2+]CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH2+]CC(C)C

InChI

InChI=1S/C20H26N2O3S/c1-5-25-20(24)18-16(15-8-6-14(4)7-9-15)12-26-19(18)22-17(23)11-21-10-13(2)3/h6-9,12-13,21H,5,10-11H2,1-4H3,(H,22,23)/p+1