[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17NO5S/c1-11-3-6-15(24-11)17(20)23-10-16(19)18-12-4-5-13-14(9-12)22-8-2-7-21-13/h3-6,9H,2,7-8,10H2,1H3,(H,18,19)