4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloranyl-7-ethyl-chromen-2-one

Systemtic Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethyl-coumarin Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-3-13-8-18-15(10-16(13)22)14(9-21(25)26-18)11-24(2)12-20-23-17-6-4-5-7-19(17)27-20/h4-10H,3,11-12H2,1-2H3