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

Systemtic Name: cyclopentyl-[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: cyclopentyl-[2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: cyclopentyl-[2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: cyclopentyl-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-cyclopentyl-methyl-ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+](C)C3CCCC3

InChI

InChI=1S/C21H26N2O3S/c1-3-26-21(25)20-17(13-18(27-20)15-9-5-4-6-10-15)22-19(24)14-23(2)16-11-7-8-12-16/h4-6,9-10,13,16H,3,7-8,11-12,14H2,1-2H3,(H,22,24)/p+1