7-methoxy-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(3-thenyl)piperazino]methyl]coumarin Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C20H22N2O3S/c1-24-17-2-3-18-16(10-20(23)25-19(18)11-17)13-22-7-5-21(6-8-22)12-15-4-9-26-14-15/h2-4,9-11,14H,5-8,12-13H2,1H3