prop-2-enyl 2,14-bis(oxidanylidene)-1-(thiophen-3-ylmethyl)-1-azacyclotetradecane-3-carboxylate

Systemtic Name: prop-2-enyl 2,14-bis(oxidanylidene)-1-(thiophen-3-ylmethyl)-1-azacyclotetradecane-3-carboxylate Openeye Name: allyl 2,14-dioxo-1-(3-thienylmethyl)-azacyclotetradecane-3-carboxylate CAS Name: 2,14-dioxo-1-(3-thiophenylmethyl)-azacyclotetradecane-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2,14-dioxo-1-(thiophen-3-ylmethyl)-azacyclotetradecane-3-carboxylate Traditional Name: 2,14-diketo-1-(3-thenyl)-azacyclotetradecane-3-carboxylic acid allyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1CCCCCCCCCCC(=O)N(C1=O)CC2=CSC=C2

Isomeric SMILES

C=CCOC(=O)C1CCCCCCCCCCC(=O)N(C1=O)CC2=CSC=C2

InChI

InChI=1S/C22H31NO4S/c1-2-14-27-22(26)19-11-9-7-5-3-4-6-8-10-12-20(24)23(21(19)25)16-18-13-15-28-17-18/h2,13,15,17,19H,1,3-12,14,16H2