[(2R)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1R)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]ammonium Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-3-28-23(27)19-14-20(18-12-8-5-9-13-18)29-22(19)25-21(26)16(2)24-15-17-10-6-4-7-11-17/h4-14,16,24H,3,15H2,1-2H3,(H,25,26)/p+1/t16-/m1/s1