methyl 3-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H14ClN3O3S2/c1-27-19(25)17-15(8-9-28-17)24-20(26)22-11-6-7-12(13(21)10-11)18-23-14-4-2-3-5-16(14)29-18/h2-10H,1H3,(H2,22,24,26)