methyl 2-[(3-pentoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-pentoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-pentoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(3-pentoxyphenyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-pentoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-amoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-4-5-11-27-16-8-6-7-14(12-16)19(24)23-21-22-17-10-9-15(20(25)26-2)13-18(17)28-21/h6-10,12-13H,3-5,11H2,1-2H3,(H,22,23,24)