[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic 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] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3)OC1

InChI

InChI=1S/C19H19NO6S/c21-14(17-3-1-10-27-17)5-7-19(23)26-12-18(22)20-13-4-6-15-16(11-13)25-9-2-8-24-15/h1,3-4,6,10-11H,2,5,7-9,12H2,(H,20,22)