6-hexyl-3-[2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-hexyl-3-[2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl]-7-oxidanyl-chromen-2-one Openeye Name: 6-hexyl-7-hydroxy-3-[2-(3-methylanilino)thiazol-4-yl]chromen-2-one CAS Name: 6-hexyl-7-hydroxy-3-[2-(3-methylanilino)-4-thiazolyl]-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-hydroxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one Traditional Name: 6-hexyl-7-hydroxy-3-[2-(m-toluidino)thiazol-4-yl]coumarin Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=CC(=C4)C)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=CC(=C4)C)O

InChI

InChI=1S/C25H26N2O3S/c1-3-4-5-6-9-17-12-18-13-20(24(29)30-23(18)14-22(17)28)21-15-31-25(27-21)26-19-10-7-8-16(2)11-19/h7-8,10-15,28H,3-6,9H2,1-2H3,(H,26,27)