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

Systemtic Name: [(2S)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(2-methylpropyl)azanium Openeye Name: [(1S)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-isobutyl-ammonium CAS Name: [(2S)-1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]-(2-methylpropyl)azanium Traditional Name: [(1S)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-isobutyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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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+]CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-5-25-20(24)16-11-17(15-9-7-6-8-10-15)26-19(16)22-18(23)14(4)21-12-13(2)3/h6-11,13-14,21H,5,12H2,1-4H3,(H,22,23)/p+1/t14-/m0/s1