7-chloranyl-1,1-bis(oxidanylidene)-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 7-chloranyl-1,1-bis(oxidanylidene)-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-chloro-1,1-dioxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-chloro-1,1-dioxo-5-(1-pyrrolidinyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-chloro-1,1-dioxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 7-chloro-1,1-diketo-5-pyrrolidino-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(CCS(=O)(=O)C3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(CCS(=O)(=O)C3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C15H16ClNO4S/c16-10-3-4-13-12(9-10)14(17-6-1-2-7-17)11(15(18)19)5-8-22(13,20)21/h3-4,9H,1-2,5-8H2,(H,18,19)