1-[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)carbamoyl]cyclopentanecarboxylic acid CAS Name: 1-[[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)carbamoyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[(6-methyl-11H-benzo[c][1,2]benzothiazepin-11-yl)carbamoyl]cyclopentanecarboxylic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(C3=CC=CC=C3S1)NC(=O)C4(CCCC4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(C3=CC=CC=C3S1)NC(=O)C4(CCCC4)C(=O)O

InChI

InChI=1S/C21H22N2O3S/c1-23-16-10-4-2-8-14(16)18(15-9-3-5-11-17(15)27-23)22-19(24)21(20(25)26)12-6-7-13-21/h2-5,8-11,18H,6-7,12-13H2,1H3,(H,22,24)(H,25,26)