ethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[8-(1,3-benzothiazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[8-(1,3-benzothiazol-2-yl)-1-naphthoyl]oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C31H25N3O5S2 MolecularWeight: 583.6773

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C31H25N3O5S2/c1-4-23(27(35)34-29-21(16-32)17(3)26(41-29)31(37)38-5-2)39-30(36)20-13-9-11-18-10-8-12-19(25(18)20)28-33-22-14-6-7-15-24(22)40-28/h6-15,23H,4-5H2,1-3H3,(H,34,35)