6-chloranyl-4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[3-(dimethylamino)propyl-(2-thienylmethyl)amino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[3-(dimethylamino)propyl-(2-thenyl)amino]methyl]-7-methyl-coumarin Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(CCCN(C)C)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(CCCN(C)C)CC3=CC=CS3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-15-10-20-18(12-19(15)22)16(11-21(25)26-20)13-24(8-5-7-23(2)3)14-17-6-4-9-27-17/h4,6,9-12H,5,7-8,13-14H2,1-3H3