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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-27-22(26)20-18(17-11-7-4-8-12-17)15-28-21(20)24-19(25)14-23-13-16-9-5-3-6-10-16/h3-12,15,23H,2,13-14H2,1H3,(H,24,25)/p+1