methyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 3-[1,3-benzothiazol-2-yl(tetrahydrofuran-2-ylmethyl)carbamoyl]benzoate CAS Name: 3-[[1,3-benzothiazol-2-yl(2-oxolanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 3-[1,3-benzothiazol-2-yl(tetrahydrofurfuryl)carbamoyl]benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O4S/c1-26-20(25)15-7-4-6-14(12-15)19(24)23(13-16-8-5-11-27-16)21-22-17-9-2-3-10-18(17)28-21/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3