8-methoxy-3-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 8-methoxy-3-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 8-methoxy-3-[4-[2-oxo-2-(2-thienyl)ethyl]piperazine-1-carbonyl]chromen-2-one CAS Name: 8-methoxy-3-[oxo-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-[4-(2-oxo-2-thiophen-2-ylethyl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[2-keto-2-(2-thienyl)ethyl]piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N2O5S/c1-27-17-5-2-4-14-12-15(21(26)28-19(14)17)20(25)23-9-7-22(8-10-23)13-16(24)18-6-3-11-29-18/h2-6,11-12H,7-10,13H2,1H3