1,3-benzothiazol-2-ylmethyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C17H16N2O3S2/c20-16(6-3-8-18-17(21)12-7-9-23-11-12)22-10-15-19-13-4-1-2-5-14(13)24-15/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,18,21)