butyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]benzoate CAS Name: 4-[[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]benzoic acid butyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-3-16-33-25(32)18-12-14-19(15-13-18)27-24(31)20-10-7-11-21-22(20)28-26(34-21)29-23(30)17-8-5-4-6-9-17/h4-6,8-9,12-15,20H,2-3,7,10-11,16H2,1H3,(H,27,31)(H,28,29,30)