3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C22H12BrN3O4S MolecularWeight: 494.31738

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C22H12BrN3O4S/c23-14-1-3-18-12(5-14)6-16(22(27)30-18)17-10-31-21(26-17)13(8-24)9-25-15-2-4-19-20(7-15)29-11-28-19/h1-7,9-10,25H,11H2