3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)thiazol-2-yl]acrylonitrile Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)OC)OCO2

InChI

InChI=1S/C22H17N3O4S/c1-13(26)17-7-20-21(29-12-28-20)8-18(17)24-10-15(9-23)22-25-19(11-30-22)14-4-3-5-16(6-14)27-2/h3-8,10-11,24H,12H2,1-2H3