methyl 4-[[6-[(2-propoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[6-[(2-propoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[6-[(2-propoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[6-[oxo-(2-propoxyanilino)methyl]-1,3-benzothiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(2-propoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[6-[(2-propoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C26H23N3O5S MolecularWeight: 489.54292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H23N3O5S/c1-3-14-34-21-7-5-4-6-19(21)27-24(31)18-12-13-20-22(15-18)35-26(28-20)29-23(30)16-8-10-17(11-9-16)25(32)33-2/h4-13,15H,3,14H2,1-2H3,(H,27,31)(H,28,29,30)