dodecyl 4-chloranyl-3-(2-thiophen-2-ylcarbonylbutanoylamino)benzoate

Systemtic Name: dodecyl 4-chloranyl-3-(2-thiophen-2-ylcarbonylbutanoylamino)benzoate Openeye Name: dodecyl 4-chloro-3-[2-(thiophene-2-carbonyl)butanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[oxo(thiophen-2-yl)methyl]butyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[2-(thiophene-2-carbonyl)butanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(2-thenoyl)butanoylamino]benzoic acid lauryl ester Formula: C28H38ClNO4S MolecularWeight: 520.12362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CC)C(=O)C2=CC=CS2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CC)C(=O)C2=CC=CS2

InChI

InChI=1S/C28H38ClNO4S/c1-3-5-6-7-8-9-10-11-12-13-18-34-28(33)21-16-17-23(29)24(20-21)30-27(32)22(4-2)26(31)25-15-14-19-35-25/h14-17,19-20,22H,3-13,18H2,1-2H3,(H,30,32)