O4-(1,3-benzoxazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate

Systemtic Name: O4-(1,3-benzoxazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate Openeye Name: O4-(1,3-benzoxazol-2-ylsulfanyl) O1-methyl 2-butylbutanedioate CAS Name: 2-butylbutanedioic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-methyl ester IUPAC Name: 4-O-(1,3-benzoxazol-2-ylsulfanyl) 1-O-methyl 2-butylbutanedioate Traditional Name: 2-butylsuccinic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-methyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)OSC1=NC2=CC=CC=C2O1)C(=O)OC

Isomeric SMILES

CCCCC(CC(=O)OSC1=NC2=CC=CC=C2O1)C(=O)OC

InChI

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