furan-2-ylmethyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-15-7-8-16(21(25)26-2)11-19(15)22-20(24)14-23(12-17-5-3-9-27-17)13-18-6-4-10-28-18/h3-11H,12-14H2,1-2H3,(H,22,24)/p+1