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1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate
Openeye Name:1,3-benzothiazol-2-ylmethyl 4-oxo-4-(2-thienyl)butanoate
CAS Name:4-oxo-4-thiophen-2-ylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 4-oxo-4-thiophen-2-ylbutanoate
Traditional Name:4-keto-4-(2-thienyl)butyric acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C16H13NO3S2
MolecularWeight: 331.40932
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC(=O)C3=CC=CS3


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC(=O)C3=CC=CS3


InChI

InChI=1S/C16H13NO3S2/c18-12(14-6-3-9-21-14)7-8-16(19)20-10-15-17-11-4-1-2-5-13(11)22-15/h1-6,9H,7-8,10H2


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