diethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate

Systemtic Name: diethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate Openeye Name: diethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]succinic acid diethyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSC1=NC2=CC=CC=C2O1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(CSC1=NC2=CC=CC=C2O1)C(=O)OCC

InChI

InChI=1S/C16H19NO5S/c1-3-20-14(18)9-11(15(19)21-4-2)10-23-16-17-12-7-5-6-8-13(12)22-16/h5-8,11H,3-4,9-10H2,1-2H3