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

Systemtic Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H24N2O3S/c1-4-13(3)20-12-17(22)21-18-15(19(23)24-5-2)11-16(25-18)14-9-7-6-8-10-14/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)/p+1/t13-/m0/s1