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

Systemtic Name: ethyl 4-[4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O7S2 MolecularWeight: 589.68364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CCOC

InChI

InChI=1S/C26H31N5O7S2/c1-4-38-26(34)29-11-13-30(14-12-29)40(35,36)21-8-5-19(6-9-21)24(33)28-25-31(15-16-37-3)22-10-7-20(27-18(2)32)17-23(22)39-25/h5-10,17H,4,11-16H2,1-3H3,(H,27,32)