[(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H26N2O3S/c1-4-26-21(25)17-15-12-8-9-13-16(15)27-20(17)22-19(24)18(23(2)3)14-10-6-5-7-11-14/h5-7,10-11,18H,4,8-9,12-13H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1