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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C18H18N2O3S/c1-12-10-13(19-23-12)11-22-18(21)16-14-6-2-3-7-15(14)24-17(16)20-8-4-5-9-20/h4-5,8-10H,2-3,6-7,11H2,1H3