4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-hydroxy-chromen-2-one CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-hydroxychromen-2-one Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-7-hydroxy-coumarin Formula: C17H11NO3S2 MolecularWeight: 341.40414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C17H11NO3S2/c19-11-5-6-12-10(7-16(20)21-14(12)8-11)9-22-17-18-13-3-1-2-4-15(13)23-17/h1-8,19H,9H2