6-chloranyl-4-methyl-7-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]chromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-[4-(2-thenoyl)piperazino]ethoxy]-4-methyl-coumarin Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19ClN2O5S/c1-13-9-20(26)29-16-11-17(15(22)10-14(13)16)28-12-19(25)23-4-6-24(7-5-23)21(27)18-3-2-8-30-18/h2-3,8-11H,4-7,12H2,1H3