diethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalen-1-yl]carbonyloxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[8-(1,3-benzothiazol-2-yl)-1-naphthalenyl]-oxomethoxy]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[8-(1,3-benzothiazol-2-yl)naphthalene-1-carbonyl]oxybutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[8-(1,3-benzothiazol-2-yl)-1-naphthoyl]oxybutanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C33H30N2O7S2 MolecularWeight: 630.7305

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H30N2O7S2/c1-5-23(28(36)35-30-25(32(38)40-6-2)18(4)27(44-30)33(39)41-7-3)42-31(37)21-15-11-13-19-12-10-14-20(26(19)21)29-34-22-16-8-9-17-24(22)43-29/h8-17,23H,5-7H2,1-4H3,(H,35,36)