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

Systemtic Name: ethyl 4-[4-[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O6S2 MolecularWeight: 558.6696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)S2)CC=C

InChI

InChI=1S/C26H30N4O6S2/c1-4-13-30-22-12-9-20(35-5-2)18-23(22)37-25(30)27-24(31)19-7-10-21(11-8-19)38(33,34)29-16-14-28(15-17-29)26(32)36-6-3/h4,7-12,18H,1,5-6,13-17H2,2-3H3