[4-(thiophen-2-ylcarbonylamino)phenyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [4-(2-thenoylamino)phenyl] ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O3S2/c25-21(9-3-8-20-24-17-5-1-2-6-18(17)29-20)27-16-12-10-15(11-13-16)23-22(26)19-7-4-14-28-19/h1-2,4-7,10-14H,3,8-9H2,(H,23,26)