5-chloranyl-N-[2-[(E)-3-(3-cyanophenyl)prop-2-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(E)-3-(3-cyanophenyl)prop-2-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[(E)-3-(3-cyanophenyl)allyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[(E)-3-(3-cyanophenyl)prop-2-enyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[(E)-3-(3-cyanophenyl)prop-2-enyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[(E)-3-(3-cyanophenyl)allyl]-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-4-yl]thiophene-2-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=O)N(C2=O)CC=CC3=CC=CC(=C3)C#N)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1C=CC(C2C1C(=O)N(C2=O)C/C=C/C3=CC=CC(=C3)C#N)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c24-19-10-9-18(31-19)21(28)26-17-8-2-7-16-20(17)23(30)27(22(16)29)11-3-6-14-4-1-5-15(12-14)13-25/h1-6,8-10,12,16-17,20H,7,11H2,(H,26,28)/b6-3+