[(1R)-2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [(1R)-2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [(1R)-2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(1R)-2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [(1R)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C30H31N2O4S+ MolecularWeight: 515.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)[NH+](C)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@@H](C3=CC=CC=C3)[NH+](C)CCOC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O4S/c1-3-35-30(34)25-21-26(22-13-7-4-8-14-22)37-29(25)31-28(33)27(23-15-9-5-10-16-23)32(2)19-20-36-24-17-11-6-12-18-24/h4-18,21,27H,3,19-20H2,1-2H3,(H,31,33)/p+1/t27-/m1/s1