ethyl 2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-ylthio)propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H17N3O3S3/c1-4-23-15(22)13-9(2)18-16(26-13)20-14(21)10(3)24-17-19-11-7-5-6-8-12(11)25-17/h5-8,10H,4H2,1-3H3,(H,18,20,21)/t10-/m0/s1