ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H19ClN2O3S3 MolecularWeight: 455.01376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H19ClN2O3S3/c1-4-25-18(24)12-8-15(10(2)3)27-17(12)22-16(23)9-26-19-21-13-7-11(20)5-6-14(13)28-19/h5-8,10H,4,9H2,1-3H3,(H,22,23)