[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H17NO6S/c1-11(20)19-9-13-3-5-17(26-13)14(21)10-25-18(22)12-2-4-15-16(8-12)24-7-6-23-15/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)