[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H20N2O4S/c1-3-12(16(20)18-15-8-10(2)23-19-15)22-17(21)14-9-11-6-4-5-7-13(11)24-14/h8-9,12H,3-7H2,1-2H3,(H,18,19,20)