propan-2-yl 2-[(4-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(4-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC(C)C

InChI

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