2-(2-chloranylethanoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide

Systemtic Name: 2-(2-chloranylethanoylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide Openeye Name: 2-[(2-chloroacetyl)amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-furyl)propanamide CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-furanyl)propanamide IUPAC Name: 2-[(2-chloroacetyl)amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanamide Traditional Name: 2-[(2-chloroacetyl)amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-furyl)propionamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CO3)NC(=O)CCl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CO3)NC(=O)CCl

InChI

InChI=1S/C18H18ClN3O4S/c1-2-25-12-5-6-13-15(9-12)27-18(21-13)22-17(24)14(20-16(23)10-19)8-11-4-3-7-26-11/h3-7,9,14H,2,8,10H2,1H3,(H,20,23)(H,21,22,24)