ethyl 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O3S3 MolecularWeight: 405.5143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC2=NC3=C(S2)C=CC(=C3)OC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC2=NC3=C(S2)C=CC(=C3)OC)SC#N)C

InChI

InChI=1S/C17H15N3O3S3/c1-4-23-16(21)14-9(2)13(24-8-18)15(26-14)20-17-19-11-7-10(22-3)5-6-12(11)25-17/h5-7H,4H2,1-3H3,(H,19,20)