[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-4-23-18(22)16-12(2)13(3)24-17(16)20-15(21)11-19-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3,(H,20,21)/p+1