tert-butyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-[[3-carbethoxy-4-(3,4-dimethoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C[NH2+]C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C[NH2+]C(C)(C)C

InChI

InChI=1S/C21H28N2O5S/c1-7-28-20(25)18-14(13-8-9-15(26-5)16(10-13)27-6)12-29-19(18)23-17(24)11-22-21(2,3)4/h8-10,12,22H,7,11H2,1-6H3,(H,23,24)/p+1