ethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)NC3=NC4=C(S3)CC(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)NC3=NC4=C(S3)C[C@H](CC4)C

InChI

InChI=1S/C22H23N3O3S2/c1-3-28-20(26)18-15(14-7-5-4-6-8-14)12-29-19(18)24-21(27)25-22-23-16-10-9-13(2)11-17(16)30-22/h4-8,12-13H,3,9-11H2,1-2H3,(H2,23,24,25,27)/t13-/m0/s1