ethyl 1,2,5-trimethyl-4-[3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H30N4O5S2 MolecularWeight: 518.6488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)C)C)C

InChI

InChI=1S/C24H30N4O5S2/c1-6-33-23(30)20-15(3)27(5)16(4)21(20)35(31,32)28-11-7-8-17(13-28)22(29)26-24-25-18-10-9-14(2)12-19(18)34-24/h9-10,12,17H,6-8,11,13H2,1-5H3,(H,25,26,29)