4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-7-ethyl-coumarin Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-2-15-3-5-18-16(12-21(25)26-19(18)11-15)13-23-7-9-24(10-8-23)14-17-4-6-20(22)27-17/h3-6,11-12H,2,7-10,13-14H2,1H3