methyl 3-[4-azanyl-5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-azanyl-5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate Openeye Name: methyl 3-[4-amino-5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-thioxo-thiazol-3-yl]-4-methyl-benzoate CAS Name: 3-[4-amino-5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-sulfanylidene-3-thiazolyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoate Traditional Name: 3-[4-amino-5-(piperonylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]-4-methyl-benzoic acid methyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C21H19N3O5S2/c1-11-3-5-13(20(26)27-2)8-14(11)24-18(22)17(31-21(24)30)19(25)23-9-12-4-6-15-16(7-12)29-10-28-15/h3-8H,9-10,22H2,1-2H3,(H,23,25)