methyl 3-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]carbamoyl]benzoate CAS Name: 3-[[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-[(4-methyl-5-piperonyl-thiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5S/c1-12-18(9-13-6-7-16-17(8-13)28-11-27-16)29-21(22-12)23-19(24)14-4-3-5-15(10-14)20(25)26-2/h3-8,10H,9,11H2,1-2H3,(H,22,23,24)