[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H22N2O3S2/c1-3-15(26-20(25)18-11-13-6-4-5-7-16(13)27-18)19(24)23-21-22-14-9-8-12(2)10-17(14)28-21/h8-11,15H,3-7H2,1-2H3,(H,22,23,24)