[(1R)-2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]-p-anisyl-ammonium Formula: C29H29N2O4S+ MolecularWeight: 501.61656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)[NH2+]CC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@@H](C3=CC=CC=C3)[NH2+]CC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H28N2O4S/c1-3-35-29(33)25-24(21-10-6-4-7-11-21)19-36-28(25)31-27(32)26(22-12-8-5-9-13-22)30-18-20-14-16-23(34-2)17-15-20/h4-17,19,26,30H,3,18H2,1-2H3,(H,31,32)/p+1/t26-/m1/s1