butyl 2-[(3-propoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3-propoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-propoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(3-propoxyphenyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-propoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-propoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)OCCC

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)OCCC

InChI

InChI=1S/C22H24N2O4S/c1-3-5-12-28-21(26)16-9-10-18-19(14-16)29-22(23-18)24-20(25)15-7-6-8-17(13-15)27-11-4-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,23,24,25)