[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]-(2-thienylmethyl)ammonium CAS Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]-(2-thenyl)ammonium Formula: C20H20ClN2O2S+ MolecularWeight: 387.903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC=CS3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=CS3)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-25-18-10-9-15(12-17(18)21)23-20(24)19(14-6-3-2-4-7-14)22-13-16-8-5-11-26-16/h2-12,19,22H,13H2,1H3,(H,23,24)/p+1/t19-/m0/s1