N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thiophene-2-carboxamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c19-15(10-17-16(20)14-3-1-8-23-14)18-11-4-5-12-13(9-11)22-7-2-6-21-12/h1,3-5,8-9H,2,6-7,10H2,(H,17,20)(H,18,19)