cyclopropyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

InChI

InChI=1S/C21H26N2O4S/c1-13-14(2)28-20(19(13)21(25)27-4)22-18(24)12-23(16-7-8-16)11-15-5-9-17(26-3)10-6-15/h5-6,9-10,16H,7-8,11-12H2,1-4H3,(H,22,24)/p+1