[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(C3CC3)C4=CCCCC4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(C3CC3)C4=CCCCC4

InChI

InChI=1S/C22H25NO4S/c1-28-14-18-17-9-5-6-10-19(17)27-21(18)22(25)26-13-20(24)23(16-11-12-16)15-7-3-2-4-8-15/h5-7,9-10,16H,2-4,8,11-14H2,1H3