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

Systemtic Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-methylbutyl)azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]-isopentyl-ammonium CAS Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]-(3-methylbutyl)ammonium IUPAC Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]-(3-methylbutyl)azanium Traditional Name: [(1R)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]-isoamyl-ammonium Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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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+]CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S/c1-4-31-26(30)22-21(19-11-7-5-8-12-19)17-32-25(22)28-24(29)23(27-16-15-18(2)3)20-13-9-6-10-14-20/h5-14,17-18,23,27H,4,15-16H2,1-3H3,(H,28,29)/p+1/t23-/m1/s1