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

Systemtic Name: [(1S)-2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: [(1S)-2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]-methylazanium Traditional Name: benzyl-[(1S)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C29H29N2O3S+ MolecularWeight: 485.61716

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O3S/c1-3-34-29(33)24-19-25(22-15-9-5-10-16-22)35-28(24)30-27(32)26(23-17-11-6-12-18-23)31(2)20-21-13-7-4-8-14-21/h4-19,26H,3,20H2,1-2H3,(H,30,32)/p+1/t26-/m0/s1