[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(3-methoxypropyl)azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl]-(3-methoxypropyl)ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl]-(3-methoxypropyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]-(3-methoxypropyl)azanium Traditional Name: [2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl]-(3-methoxypropyl)ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-4-27-20(24)18-16(14-6-8-15(26-3)9-7-14)13-28-19(18)22-17(23)12-21-10-5-11-25-2/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,22,23)/p+1