methyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[(4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]-methyl-amino]benzoate CAS Name: 2-[[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]-methylamino]benzoate Traditional Name: 2-[methyl-[(4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H22N4O4S/c1-11-16-13(22-23-20(21)29)8-6-10-15(16)28-17(11)18(25)24(2)14-9-5-4-7-12(14)19(26)27-3/h4-5,7,9H,6,8,10H2,1-3H3,(H3,21,23,29)/b22-13+