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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(2-thenyl)piperazino]methyl]coumarin Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC=CS4)Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-14-9-19-17(11-18(14)21)15(10-20(24)25-19)12-22-4-6-23(7-5-22)13-16-3-2-8-26-16/h2-3,8-11H,4-7,12-13H2,1H3