(3-methyl-1,2-oxazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C16H18N2O4S/c1-9-7-11(22-18-9)8-21-16(20)14-12-5-3-4-6-13(12)23-15(14)17-10(2)19/h7H,3-6,8H2,1-2H3,(H,17,19)