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

Systemtic Name: methyl 2-[(4-butoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-3-4-11-26-15-8-5-13(6-9-15)18(23)22-20-21-16-10-7-14(19(24)25-2)12-17(16)27-20/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)