(Z)-2-[8-[(butanoylamino)methyl]-6-thiophen-2-yl-naphthalen-2-yl]but-2-enethioic S-acid

Systemtic Name: (Z)-2-[8-[(butanoylamino)methyl]-6-thiophen-2-yl-naphthalen-2-yl]but-2-enethioic S-acid Openeye Name: (Z)-2-[8-[(butanoylamino)methyl]-6-(2-thienyl)-2-naphthyl]but-2-enethioic S-acid CAS Name: (Z)-2-[8-[(1-oxobutylamino)methyl]-6-thiophen-2-yl-2-naphthalenyl]-2-butenethioic S-acid IUPAC Name: (Z)-2-[8-[(butanoylamino)methyl]-6-thiophen-2-ylnaphthalen-2-yl]but-2-enethioic S-acid Traditional Name: (Z)-2-[8-(butyramidomethyl)-6-(2-thienyl)-2-naphthyl]but-2-enethioic S-acid Formula: C23H23NO2S2 MolecularWeight: 409.56422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=C2C=C(C=CC2=CC(=C1)C3=CC=CS3)C(=CC)C(=O)S

Isomeric SMILES

CCCC(=O)NCC1=C2C=C(C=CC2=CC(=C1)C3=CC=CS3)/C(=C/C)/C(=O)S

InChI

InChI=1S/C23H23NO2S2/c1-3-6-22(25)24-14-18-12-17(21-7-5-10-28-21)11-15-8-9-16(13-20(15)18)19(4-2)23(26)27/h4-5,7-13H,3,6,14H2,1-2H3,(H,24,25)(H,26,27)/b19-4-