ethyl (4Z,6Z,8Z,10Z,12Z)-2-acetamidocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: ethyl (4Z,6Z,8Z,10Z,12Z)-2-acetamidocyclododeca[b]thiophene-3-carboxylate Openeye Name: ethyl (4Z,6Z,8Z,10Z,12Z)-2-acetamidocyclododeca[b]thiophene-3-carboxylate CAS Name: (4Z,6Z,8Z,10Z,12Z)-2-acetamido-3-cyclododeca[b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z,6Z,8Z,10Z,12Z)-2-acetamidocyclododeca[b]thiophene-3-carboxylate Traditional Name: (4Z,6Z,8Z,10Z,12Z)-2-acetamidocyclododeca[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC=CC=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC/2=C1/C=C\C=C/C=C\C=C/C=C2)NC(=O)C

InChI

InChI=1S/C19H19NO3S/c1-3-23-19(22)17-15-12-10-8-6-4-5-7-9-11-13-16(15)24-18(17)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b5-4-,6-4?,7-5?,8-6-,9-7-,10-8?,11-9?,12-10-,13-11-,15-12?,16-13?