tert-butyl 4-[[4-chloranyl-2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate

Systemtic Name: tert-butyl 4-[[4-chloranyl-2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate Openeye Name: tert-butyl 4-[[4-chloro-2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate CAS Name: 4-[[[4-chloro-2-(hydroxymethyl)-1,3-benzothiazol-5-yl]amino]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-chloro-2-(hydroxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoate Traditional Name: 4-[(4-chloro-2-methylol-1,3-benzothiazol-5-yl)carbamoyl]benzoic acid tert-butyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)SC(=N3)CO)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)SC(=N3)CO)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-20(2,3)27-19(26)12-6-4-11(5-7-12)18(25)22-13-8-9-14-17(16(13)21)23-15(10-24)28-14/h4-9,24H,10H2,1-3H3,(H,22,25)