4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H18ClNO2S2 MolecularWeight: 415.95612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(S3)C=CC(=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=C(S3)C=CC(=C4)Cl)C(C)C

InChI

InChI=1S/C21H18ClNO2S2/c1-11(2)15-9-16-13(7-20(24)25-18(16)6-12(15)3)10-26-21-23-17-8-14(22)4-5-19(17)27-21/h4-9,11H,10H2,1-3H3