N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]thiophene-2-carboxamide

Systemtic Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]thiophene-2-carboxamide Openeye Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]thiophene-2-carboxamide CAS Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]thiophene-2-carboxamide Traditional Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]thiophene-2-carboxamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CS1)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CS1)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O3S/c1-11(17-18-16(19)15-3-2-8-22-15)4-5-12-6-7-13-14(9-12)21-10-20-13/h2-9H,10H2,1H3,(H,18,19)/b5-4+,17-11+