ethyl 4-[4-[[6-acetamido-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[6-acetamido-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-acetamido-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[6-acetamido-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-acetamido-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-acetamido-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H31N5O8S2 MolecularWeight: 617.69374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H31N5O8S2/c1-4-39-24(34)17-32-22-11-8-20(28-18(3)33)16-23(22)41-26(32)29-25(35)19-6-9-21(10-7-19)42(37,38)31-14-12-30(13-15-31)27(36)40-5-2/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,28,33)