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

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-phenethylammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-phenethylazanium Traditional Name: [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-phenethyl-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[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-21(25)19-16-10-6-7-11-17(16)27-20(19)23-18(24)14-22-13-12-15-8-4-3-5-9-15/h3-5,8-9,22H,2,6-7,10-14H2,1H3,(H,23,24)/p+1